NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
559150 |
2m2p   |
18925 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 49 CYX H 49 CYX HB2 3.80 (#peak 1 #SUP 0.98 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 49 CYX H 49 CYX HB3 3.80 (#peak 2 #SUP 0.97 #QF 0.97)
&rst
ixpk= 2, nxpk= 0, iat= 596, 601, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 37 CYX H 37 CYX HB3 4.13 (#peak 5 #SUP 0.98 #QF 0.98)
&rst
ixpk= 5, nxpk= 0, iat= 416, 421, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 37 CYX H 37 CYX HB2 4.13 (#peak 6 #SUP 1.00)
&rst
ixpk= 6, nxpk= 0, iat= 416, 420, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 18 ASN H 18 ASN QB 3.45 (#peak 8 #SUP 1.00)
&rst
ixpk= 8, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 258, 259,
&end
#
# 18 ASN QB 19 TYR H 3.61 (#peak 10 #SUP 0.85 #QF 0.85)
&rst
ixpk= 10, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 258, 259,
&end
#
# 19 TYR H 19 TYR HB2 3.08 (#peak 11 #SUP 0.93 #QF 0.93)
&rst
ixpk= 11, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 19 TYR H 19 TYR HB3 4.09 (#peak 12 #SUP 0.97 #QF 0.94)
&rst
ixpk= 12, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 20 CYX HB2 21 ASN H 4.25 (#peak 12 #SUP 0.97 #QF 0.94)
&rst
ixpk= 12, nxpk= 0, iat= 293, 299, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 14 TYR QB 15 GLN H 3.71 (#peak 13 #SUP 0.95 #QF 0.87)
&rst
ixpk= 13, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 186, 187,
&end
#
# 19 TYR HB2 20 CYX H 4.13 (#peak 13 #SUP 0.95 #QF 0.87)
&rst
ixpk= 13, nxpk= 0, iat= 272, 289, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 19 TYR HB3 20 CYX H 4.41 (#peak 15 #SUP 1.00 #QF 0.61)
&rst
ixpk= 15, nxpk= 0, iat= 273, 289, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 20 CYX HB3 21 ASN H 4.25 (#peak 16 #SUP 0.77 #QF 0.77)
&rst
ixpk= 16, nxpk= 0, iat= 294, 299, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 21 ASN H 21 ASN HB2 3.82 (#peak 17 #SUP 0.98 #QF 0.98)
&rst
ixpk= 17, nxpk= 0, iat= 299, 303, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 21 ASN H 21 ASN HB3 3.82 (#peak 18 #SUP 0.87 #QF 0.87)
&rst
ixpk= 18, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 59 LYS HA 60 THR H 2.93 (#peak 22 #SUP 0.63 #QF 0.63)
&rst
ixpk= 22, nxpk= 0, iat= 747, 767, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 44 ALA H 44 ALA QB 2.78 (#peak 23 #SUP 0.95 #QF 0.95)
&rst
ixpk= 23, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 515, 516, 517,
&end
#
# 44 ALA QB 45 LEU H 3.22 (#peak 24 #SUP 0.93 #QF 0.93)
&rst
ixpk= 24, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 515, 516, 517,
&end
#
# 43 GLU QB 44 ALA H 3.21 (#peak 26 #SUP 0.88 #QF 0.88)
&rst
ixpk= 26, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 500, 501,
&end
#
# 43 GLU H 43 GLU QB 2.96 (#peak 28 #SUP 0.89 #QF 0.89)
&rst
ixpk= 28, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 500, 501,
&end
#
# 43 GLU H 43 GLU HG3 4.11 (#peak 29 #SUP 0.96 #QF 0.96)
&rst
ixpk= 29, nxpk= 0, iat= 496, 504, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 43 GLU H 43 GLU HG2 4.11 (#peak 30 #SUP 0.96 #QF 0.96)
&rst
ixpk= 30, nxpk= 0, iat= 496, 503, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 43 GLU HA 46 TYR QD 3.23 (#peak 34 #SUP 0.85 #QF 0.85)
&rst
ixpk= 34, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 548, 557,
&end
#
# 46 TYR HA 46 TYR QD 2.88 (#peak 35 #SUP 0.79 #QF 0.79)
&rst
ixpk= 35, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 548, 557,
&end
#
# 48 VAL H 48 VAL QG1 3.80 (#peak 38 #SUP 0.88 #QF 0.88)
&rst
ixpk= 38, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 586, 587, 588,
&end
#
# 48 VAL H 48 VAL QG2 3.25 (#peak 39 #SUP 0.90 #QF 0.90)
&rst
ixpk= 39, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 590, 591, 592,
&end
#
# 47 LEU HB2 48 VAL H 4.10 (#peak 40 #SUP 0.97 #QF 0.97)
&rst
ixpk= 40, nxpk= 0, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 47 LEU HB3 48 VAL H 4.10 (#peak 41 #SUP 0.96 #QF 0.96)
&rst
ixpk= 41, nxpk= 0, iat= 566, 580, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 47 LEU H 47 LEU HB2 3.75 (#peak 42 #SUP 0.92 #QF 0.92)
&rst
ixpk= 42, nxpk= 0, iat= 561, 565, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 47 LEU H 47 LEU HB3 3.75 (#peak 43 #SUP 0.99 #QF 0.99)
&rst
ixpk= 43, nxpk= 0, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 46 TYR QB 47 LEU H 3.40 (#peak 44 #SUP 0.83 #QF 0.83)
&rst
ixpk= 44, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 544, 545,
&end
#
# 46 TYR H 46 TYR QB 2.79 (#peak 45 #SUP 0.92 #QF 0.92)
&rst
ixpk= 45, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 544, 545,
&end
#
# 46 TYR HA 46 TYR QE 4.24 (#peak 48 #SUP 0.90 #QF 0.90)
&rst
ixpk= 48, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 550, 555,
&end
#
# 19 TYR HA 19 TYR QD 3.21 (#peak 60 #SUP 0.92 #QF 0.92)
&rst
ixpk= 60, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 276, 285,
&end
#
# 19 TYR HA 19 TYR QE 4.65 (#peak 61 #SUP 1.00)
&rst
ixpk= 61, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 278, 283,
&end
#
# 14 TYR H 14 TYR QB 3.27 (#peak 64 #SUP 0.97 #QF 0.97)
&rst
ixpk= 64, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 186, 187,
&end
#
# 15 GLN H 15 GLN HG2 4.02 (#peak 65 #SUP 0.95 #QF 0.95)
&rst
ixpk= 65, nxpk= 0, iat= 203, 210, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 15 GLN H 15 GLN HG3 4.02 (#peak 66 #SUP 0.83 #QF 0.83)
&rst
ixpk= 66, nxpk= 0, iat= 203, 211, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 15 GLN H 15 GLN HB2 3.94 (#peak 67 #SUP 0.88 #QF 0.88)
&rst
ixpk= 67, nxpk= 0, iat= 203, 207, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 15 GLN H 15 GLN HB3 3.94 (#peak 68 #SUP 0.98 #QF 0.98)
&rst
ixpk= 68, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 13 LEU HA 16 LEU H 3.77 (#peak 69 #SUP 0.88 #QF 0.45)
&rst
ixpk= 69, nxpk= 0, iat= 165, 220, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 14 TYR HA 14 TYR QD 3.12 (#peak 75 #SUP 0.77 #QF 0.77)
&rst
ixpk= 75, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 190, 199,
&end
#
# 9 SER HB3 10 ILE H 3.77 (#peak 77 #SUP 0.99 #QF 0.21)
&rst
ixpk= 77, nxpk= 0, iat= 117, 123, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 16 LEU HB2 17 GLU H 2.99 (#peak 79 #SUP 0.61 #QF 0.61)
&rst
ixpk= 79, nxpk= 0, iat= 224, 239, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 16 LEU H 16 LEU HB3 3.72 (#peak 81 #SUP 0.99 #QF 0.99)
&rst
ixpk= 81, nxpk= 0, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 16 LEU H 16 LEU QQD 3.52 (#peak 82 #SUP 0.99 #QF 0.99)
&rst
ixpk= 82, nxpk= 0, iat= 220, 226, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 16 LEU H 16 LEU HB2 3.19 (#peak 83 #SUP 0.96 #QF 0.96)
&rst
ixpk= 83, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 56 TYR QD 58 PRO QD 3.94 (#peak 88 #SUP 0.91 #QF 0.91)
&rst
ixpk= 88, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 704, 713,
igr2= 732, 733,
&end
#
# 56 TYR QE 58 PRO QD 4.12 (#peak 89 #SUP 0.95 #QF 0.95)
&rst
ixpk= 89, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 706, 711,
igr2= 732, 733,
&end
#
# 56 TYR HA 56 TYR QD 2.95 (#peak 92 #SUP 0.62 #QF 0.62)
&rst
ixpk= 92, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 704, 713,
&end
#
# 56 TYR HA 56 TYR QE 4.56 (#peak 93 #SUP 0.85 #QF 0.85)
&rst
ixpk= 93, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 706, 711,
&end
#
# 31 PHE HA 31 PHE QD 3.76 (#peak 95 #SUP 1.00)
&rst
ixpk= 95, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 321, 329,
&end
#
# 56 TYR H 56 TYR QB 4.12 (#peak 96 #SUP 1.00)
&rst
ixpk= 96, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 700, 701,
&end
#
# 55 PHE HA 55 PHE QD 3.41 (#peak 99 #SUP 0.84 #QF 0.84)
&rst
ixpk= 99, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 684, 692,
&end
#
# 55 PHE HA 55 PHE QE 4.92 (#peak 100 #SUP 0.97 #QF 0.97)
&rst
ixpk= 100, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 686, 690,
&end
#
# 60 THR H 60 THR QG2 4.50 (#peak 101 #SUP 0.96 #QF 0.96)
&rst
ixpk= 101, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 773, 774, 775,
&end
#
# 10 ILE H 10 ILE QG2 4.13 (#peak 112 #SUP 1.00)
&rst
ixpk= 112, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 129, 130, 131,
&end
#
# 10 ILE H 10 ILE HB 3.53 (#peak 113 #SUP 0.88 #QF 0.88)
&rst
ixpk= 113, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 48 VAL H 49 CYX H 4.02 (#peak 114 #SUP 0.86 #QF 0.86)
&rst
ixpk= 114, nxpk= 0, iat= 580, 596, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 47 LEU H 48 VAL H 4.02 (#peak 116 #SUP 0.80 #QF 0.80)
&rst
ixpk= 116, nxpk= 0, iat= 561, 580, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 49 CYX H 50 GLY H 4.18 (#peak 118 #SUP 0.91 #QF 0.91)
&rst
ixpk= 118, nxpk= 0, iat= 596, 606, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 43 GLU H 44 ALA H 3.58 (#peak 120 #SUP 0.93 #QF 0.93)
&rst
ixpk= 120, nxpk= 0, iat= 496, 511, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 44 ALA H 45 LEU H 3.50 (#peak 121 #SUP 0.98 #QF 0.98)
&rst
ixpk= 121, nxpk= 0, iat= 511, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 TYR H 47 LEU H 3.76 (#peak 123 #SUP 0.98 #QF 0.98)
&rst
ixpk= 123, nxpk= 0, iat= 540, 561, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 45 LEU H 46 TYR H 3.62 (#peak 124 #SUP 0.98 #QF 0.98)
&rst
ixpk= 124, nxpk= 0, iat= 521, 540, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 46 TYR H 46 TYR QD 3.67 (#peak 126 #SUP 0.99 #QF 0.99)
&rst
ixpk= 126, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 548, 557,
&end
#
# 17 GLU H 18 ASN H 4.36 (#peak 128 #SUP 0.94 #QF 0.94)
&rst
ixpk= 128, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 16 LEU H 17 GLU H 3.63 (#peak 130 #SUP 0.98 #QF 0.98)
&rst
ixpk= 130, nxpk= 0, iat= 220, 239, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 19 TYR H 19 TYR QE 5.06 (#peak 133 #SUP 0.99 #QF 0.98)
&rst
ixpk= 133, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 278, 283,
&end
#
# 56 TYR QE 57 THR H 5.50 (#peak 133 #SUP 0.99 #QF 0.98)
&rst
ixpk= 133, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 706, 711,
&end
#
# 19 TYR H 20 CYX H 3.31 (#peak 134 #SUP 0.80 #QF 0.70)
&rst
ixpk= 134, nxpk= 0, iat= 268, 289, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 20 CYX H 21 ASN H 3.74 (#peak 134 #SUP 0.80 #QF 0.70)
&rst
ixpk= 134, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 9 SER HA 10 ILE H 3.54 (#peak 135 #SUP 0.98 #QF 0.98)
&rst
ixpk= 135, nxpk= 0, iat= 114, 123, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 10 ILE QG1 35 HIS HE1 4.37 (#peak 136 #SUP 0.81 #QF 0.81)
&rst
ixpk= 136, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 133, 134,
&end
#
# 48 VAL QG1 49 CYX H 3.96 (#peak 137 #SUP 0.98 #QF 0.98)
&rst
ixpk= 137, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 586, 587, 588,
&end
#
# 48 VAL QG2 49 CYX H 3.95 (#peak 138 #SUP 0.91 #QF 0.91)
&rst
ixpk= 138, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 590, 591, 592,
&end
#
# 48 VAL HB 49 CYX H 3.59 (#peak 139 #SUP 0.96 #QF 0.96)
&rst
ixpk= 139, nxpk= 0, iat= 584, 596, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 19 TYR HB3 55 PHE QE 4.32 (#peak 140 #SUP 0.95 #QF 0.42)
&rst
ixpk= 140, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 686, 690,
&end
#
# 40 HIS HA 40 HIS HD2 3.47 (#peak 142 #SUP 0.67 #QF 0.67)
&rst
ixpk= 142, nxpk= 0, iat= 446, 457, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 31 PHE QD 36 LEU QQD 4.21 (#peak 143 #SUP 0.93 #QF 0.75)
&rst
ixpk= 143, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 321, 329,
&end
#
# 35 HIS HA 35 HIS HD2 4.25 (#peak 146 #SUP 0.34 #QF 0.34)
&rst
ixpk= 146, nxpk= 0, iat= 382, 393, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 45 LEU HA 48 VAL H 4.25 (#peak 148 #SUP 0.87 #QF 0.87)
&rst
ixpk= 148, nxpk= 0, iat= 523, 580, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 13 LEU H 13 LEU HG 4.84 (#peak 151 #SUP 0.87 #QF 0.87)
&rst
ixpk= 151, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 36 LEU QQD 44 ALA H 4.00 (#peak 152 #SUP 0.69 #QF 0.69)
&rst
ixpk= 152, nxpk= 0, iat= 403, 511, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 36 LEU QQD 37 CYX H 4.31 (#peak 153 #SUP 0.95 #QF 0.95)
&rst
ixpk= 153, nxpk= 0, iat= 403, 416, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end
#
# 16 LEU HA 19 TYR QD 2.97 (#peak 156 #SUP 0.91 #QF 0.91)
&rst
ixpk= 156, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 276, 285,
&end
#
# 10 ILE H 10 ILE QD1 3.89 (#peak 157 #SUP 0.95 #QF 0.95)
&rst
ixpk= 157, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 136, 137, 138,
&end
#
# 10 ILE QD1 35 HIS HE1 4.31 (#peak 158 #SUP 0.93 #QF 0.93)
&rst
ixpk= 158, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 136, 137, 138,
&end
#
# 10 ILE QD1 35 HIS HD2 4.58 (#peak 159 #SUP 0.95 #QF 0.95)
&rst
ixpk= 159, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 136, 137, 138,
&end
#
# 10 ILE H 10 ILE QG1 4.02 (#peak 160 #SUP 0.98 #QF 0.98)
&rst
ixpk= 160, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 133, 134,
&end
#
# 19 TYR H 45 LEU QD1 5.50 (#peak 161 #SUP 0.70 #QF 0.70)
&rst
ixpk= 161, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 530, 531, 532,
&end
#
# 10 ILE QG2 35 HIS HE1 5.30 (#peak 162 #SUP 0.68 #QF 0.68)
&rst
ixpk= 162, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 129, 130, 131,
&end
#
# 16 LEU H 16 LEU HG 3.23 (#peak 163 #SUP 0.93 #QF 0.93)
&rst
ixpk= 163, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 45 LEU H 45 LEU QD2 4.26 (#peak 164 #SUP 0.98 #QF 0.98)
&rst
ixpk= 164, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 534, 535, 536,
&end
#
# 19 TYR QD 45 LEU QD2 4.27 (#peak 165 #SUP 1.00)
&rst
ixpk= 165, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 276, 285,
igr2= 534, 535, 536,
&end
#
# 45 LEU QD2 55 PHE QD 4.66 (#peak 166 #SUP 0.99 #QF 0.99)
&rst
ixpk= 166, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 534, 535, 536,
igr2= 684, 692,
&end
#
# 19 TYR QE 45 LEU QD2 4.67 (#peak 167 #SUP 0.99 #QF 0.99)
&rst
ixpk= 167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 278, 283,
igr2= 534, 535, 536,
&end
#
# 45 LEU QD2 55 PHE QE 4.26 (#peak 168 #SUP 0.85 #QF 0.85)
&rst
ixpk= 168, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 534, 535, 536,
igr2= 686, 690,
&end
#
# 19 TYR QD 45 LEU QD1 4.27 (#peak 169 #SUP 0.90 #QF 0.90)
&rst
ixpk= 169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 276, 285,
igr2= 530, 531, 532,
&end
#
# 45 LEU QD1 55 PHE QD 4.66 (#peak 170 #SUP 0.78 #QF 0.78)
&rst
ixpk= 170, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 530, 531, 532,
igr2= 684, 692,
&end
#
# 45 LEU QD1 55 PHE QE 4.26 (#peak 171 #SUP 0.77 #QF 0.77)
&rst
ixpk= 171, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 530, 531, 532,
igr2= 686, 690,
&end
#
# 2 ILE QD1 19 TYR QE 4.43 (#peak 172 #SUP 0.70 #QF 0.23)
&rst
ixpk= 172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 24, 25, 26,
igr2= 278, 283,
&end
#
# 19 TYR QE 45 LEU QD1 4.67 (#peak 172 #SUP 0.70 #QF 0.23)
&rst
ixpk= 172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 278, 283,
igr2= 530, 531, 532,
&end
#
# 16 LEU QQD 19 TYR QE 3.43 (#peak 174 #SUP 0.68 #QF 0.68)
&rst
ixpk= 174, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 278, 283,
&end
#
# 16 LEU QQD 19 TYR QD 3.78 (#peak 175 #SUP 0.97 #QF 0.92)
&rst
ixpk= 175, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 276, 285,
&end
#
# 16 LEU QQD 31 PHE QE 4.09 (#peak 175 #SUP 0.97 #QF 0.92)
&rst
ixpk= 175, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 323, 327,
&end
#
# 16 LEU QQD 31 PHE QD 4.35 (#peak 176 #SUP 0.90 #QF 0.49)
&rst
ixpk= 176, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr2= 321, 329,
&end
#
# 44 ALA H 47 LEU QQD 4.58 (#peak 180 #SUP 0.31 #QF 0.31)
&rst
ixpk= 180, nxpk= 0, iat= 511, 567, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 47 LEU H 47 LEU QQD 4.23 (#peak 181 #SUP 0.90 #QF 0.90)
&rst
ixpk= 181, nxpk= 0, iat= 561, 567, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, &end
#
# 42 VAL QG1 43 GLU H 4.03 (#peak 182 #SUP 0.68 #QF 0.68)
&rst
ixpk= 182, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 486, 487, 488,
&end
#
# 2 ILE HG13 3 VAL H 5.18 (#peak 183 #SUP 0.95 #QF 0.23)
&rst
ixpk= 183, nxpk= 0, iat= 22, 30, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 45 LEU H 48 VAL QG2 5.50 (#peak 183 #SUP 0.95 #QF 0.23)
&rst
ixpk= 183, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 590, 591, 592,
&end
#
# 17 GLU H 48 VAL QG1 3.72 (#peak 184 #SUP 0.68 #QF 0.54)
&rst
ixpk= 184, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 586, 587, 588,
&end
#
# 2 ILE QG2 3 VAL H 4.15 (#peak 185 #SUP 0.98 #QF 0.94)
&rst
ixpk= 185, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 17, 18, 19,
&end
#
# 45 LEU H 45 LEU QD1 4.26 (#peak 186 #SUP 0.99 #QF 0.99)
&rst
ixpk= 186, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 530, 531, 532,
&end
#
# 45 LEU H 45 LEU HB3 3.86 (#peak 187 #SUP 0.98 #QF 0.98)
&rst
ixpk= 187, nxpk= 0, iat= 521, 526, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 45 LEU HB3 46 TYR H 4.11 (#peak 188 #SUP 0.99 #QF 0.99)
&rst
ixpk= 188, nxpk= 0, iat= 526, 540, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 13 LEU H 16 LEU QQD 4.53 (#peak 189 #SUP 0.37 #QF 0.37)
&rst
ixpk= 189, nxpk= 0, iat= 163, 226, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, &end
#
# 45 LEU H 45 LEU HB2 3.86 (#peak 190 #SUP 0.81 #QF 0.66)
&rst
ixpk= 190, nxpk= 0, iat= 521, 525, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 45 LEU H 45 LEU HG 3.59 (#peak 190 #SUP 0.81 #QF 0.66)
&rst
ixpk= 190, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 45 LEU HB2 46 TYR H 4.11 (#peak 193 #SUP 0.91 #QF 0.91)
&rst
ixpk= 193, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 13 LEU QB 14 TYR H 3.86 (#peak 194 #SUP 0.95 #QF 0.95)
&rst
ixpk= 194, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 167, 168,
&end
#
# 55 PHE QE 57 THR QG2 5.07 (#peak 195 #SUP 0.77 #QF 0.77)
&rst
ixpk= 195, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 686, 690,
igr2= 723, 724, 725,
&end
#
# 55 PHE QD 57 THR QG2 4.14 (#peak 196 #SUP 0.39 #QF 0.39)
&rst
ixpk= 196, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 684, 692,
igr2= 723, 724, 725,
&end
#
# 31 PHE QE 48 VAL QG2 3.73 (#peak 197 #SUP 0.50 #QF 0.50)
&rst
ixpk= 197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 323, 327,
igr2= 590, 591, 592,
&end
#
# 13 LEU QQD 31 PHE QE 3.56 (#peak 198 #SUP 0.45 #QF 0.45)
&rst
ixpk= 198, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 323, 327,
&end
#
# 13 LEU QQD 31 PHE QD 3.70 (#peak 199 #SUP 0.37 #QF 0.37)
&rst
ixpk= 199, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 321, 329,
&end
#
# 16 LEU HB3 19 TYR QD 4.21 (#peak 201 #SUP 0.86 #QF 0.86)
&rst
ixpk= 201, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 276, 285,
&end
#
# 31 PHE QE 44 ALA QB 3.97 (#peak 202 #SUP 0.96 #QF 0.96)
&rst
ixpk= 202, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 323, 327,
igr2= 515, 516, 517,
&end
#
# 31 PHE QD 44 ALA QB 3.77 (#peak 203 #SUP 0.73 #QF 0.73)
&rst
ixpk= 203, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 321, 329,
igr2= 515, 516, 517,
&end
#
# 45 LEU HB2 55 PHE QE 4.80 (#peak 204 #SUP 0.96 #QF 0.96)
&rst
ixpk= 204, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 686, 690,
&end
#
# 56 TYR QE 58 PRO QG 4.46 (#peak 206 #SUP 0.99 #QF 0.99)
&rst
ixpk= 206, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 706, 711,
igr2= 735, 736,
&end
#
# 17 GLU H 17 GLU HG3 3.96 (#peak 208 #SUP 0.95 #QF 0.95)
&rst
ixpk= 208, nxpk= 0, iat= 239, 247, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 48 VAL H 48 VAL HB 3.40 (#peak 209 #SUP 0.97 #QF 0.97)
&rst
ixpk= 209, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 18 ASN QB 19 TYR QE 4.70 (#peak 219 #SUP 0.81 #QF 0.81)
&rst
ixpk= 219, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 258, 259,
igr2= 278, 283,
&end
#
# 54 HIS HB2 54 HIS HD2 3.96 (#peak 220 #SUP 0.52 #QF 0.52)
&rst
ixpk= 220, nxpk= 0, iat= 663, 672, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 54 HIS HB3 54 HIS HD2 3.96 (#peak 221 #SUP 0.96 #QF 0.96)
&rst
ixpk= 221, nxpk= 0, iat= 664, 672, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 19 TYR HB3 55 PHE QD 4.40 (#peak 223 #SUP 0.57 #QF 0.57)
&rst
ixpk= 223, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 684, 692,
&end
#
# 42 VAL HA 45 LEU H 4.12 (#peak 224 #SUP 0.80 #QF 0.80)
&rst
ixpk= 224, nxpk= 0, iat= 482, 521, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 45 LEU H 46 TYR QB 4.73 (#peak 225 #SUP 0.84 #QF 0.84)
&rst
ixpk= 225, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 544, 545,
&end
#
# 17 GLU H 17 GLU HG2 3.96 (#peak 226 #SUP 0.93 #QF 0.93)
&rst
ixpk= 226, nxpk= 0, iat= 239, 246, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 14 TYR QE 15 GLN HA 4.52 (#peak 228 #SUP 0.71 #QF 0.71)
&rst
ixpk= 228, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 192, 197,
&end
#
# 53 GLY QA 54 HIS HD2 4.21 (#peak 229 #SUP 0.45 #QF 0.45)
&rst
ixpk= 229, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 654, 655,
&end
#
# 16 LEU HA 19 TYR QE 3.44 (#peak 231 #SUP 0.95 #QF 0.95)
&rst
ixpk= 231, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 278, 283,
&end
#
# 43 GLU HA 46 TYR QE 5.18 (#peak 232 #SUP 0.94 #QF 0.94)
&rst
ixpk= 232, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 550, 555,
&end
#
# 56 TYR QE 58 PRO HA 4.59 (#peak 235 #SUP 0.95 #QF 0.95)
&rst
ixpk= 235, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 706, 711,
&end
#
# 9 SER HA 35 HIS HD2 4.08 (#peak 236 #SUP 0.23 #QF 0.23)
&rst
ixpk= 236, nxpk= 0, iat= 114, 393, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 54 HIS HA 54 HIS HD2 4.29 (#peak 237 #SUP 0.68 #QF 0.68)
&rst
ixpk= 237, nxpk= 0, iat= 661, 672, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 18 ASN HA 20 CYX H 4.40 (#peak 242 #SUP 0.50 #QF 0.50)
&rst
ixpk= 242, nxpk= 0, iat= 256, 289, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 40 HIS HA 44 ALA H 4.31 (#peak 243 #SUP 0.75 #QF 0.75)
&rst
ixpk= 243, nxpk= 0, iat= 446, 511, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 14 TYR HA 17 GLU H 4.17 (#peak 245 #SUP 0.72 #QF 0.72)
&rst
ixpk= 245, nxpk= 0, iat= 184, 239, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 43 GLU HA 46 TYR H 3.85 (#peak 248 #SUP 0.91 #QF 0.91)
&rst
ixpk= 248, nxpk= 0, iat= 498, 540, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 17 GLU HA 19 TYR H 4.15 (#peak 249 #SUP 0.57 #QF 0.57)
&rst
ixpk= 249, nxpk= 0, iat= 241, 268, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 9 SER HB2 10 ILE H 3.77 (#peak 250 #SUP 0.81 #QF 0.81)
&rst
ixpk= 250, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 45 LEU HA 49 CYX H 4.47 (#peak 251 #SUP 0.89 #QF 0.89)
&rst
ixpk= 251, nxpk= 0, iat= 523, 596, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 46 TYR H 47 LEU QQD 5.20 (#peak 253 #SUP 0.87 #QF 0.79)
&rst
ixpk= 253, nxpk= 0, iat= 540, 567, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, &end
#
# 18 ASN H 19 TYR H 3.92 (#peak 254 #SUP 0.87 #QF 0.87)
&rst
ixpk= 254, nxpk= 0, iat= 254, 268, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 19 TYR H 19 TYR QD 3.26 (#peak 255 #SUP 0.98 #QF 0.98)
&rst
ixpk= 255, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 276, 285,
&end
#
# 14 TYR H 14 TYR QD 4.37 (#peak 256 #SUP 0.98 #QF 0.98)
&rst
ixpk= 256, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 190, 199,
&end
#
# 19 TYR H 45 LEU QD2 5.50 (#peak 263 #SUP 0.78 #QF 0.78)
&rst
ixpk= 263, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 534, 535, 536,
&end
#
# 16 LEU H 48 VAL QG1 4.61 (#peak 264 #SUP 0.53 #QF 0.53)
&rst
ixpk= 264, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 586, 587, 588,
&end
#
# 15 GLN H 16 LEU QQD 4.60 (#peak 266 #SUP 0.38 #QF 0.38)
&rst
ixpk= 266, nxpk= 0, iat= 203, 226, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 13 LEU QB 15 GLN H 4.73 (#peak 267 #SUP 0.67 #QF 0.67)
&rst
ixpk= 267, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 167, 168,
&end
#
# 2 ILE HG12 19 TYR QE 4.52 (#peak 268 #SUP 0.86 #QF 0.86)
&rst
ixpk= 268, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 278, 283,
&end
#
# 16 LEU HB2 19 TYR QD 5.12 (#peak 269 #SUP 0.99 #QF 0.99)
&rst
ixpk= 269, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 276, 285,
&end
#
# 31 PHE QD 32 VAL HB 5.47 (#peak 270 #SUP 0.23 #QF 0.23)
&rst
ixpk= 270, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 321, 329,
&end
#
# 42 VAL H 42 VAL HB 3.50 (#peak 271 #SUP 0.71 #QF 0.71)
&rst
ixpk= 271, nxpk= 0, iat= 480, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 PHE QE 43 GLU QB 5.31 (#peak 272 #SUP 0.68 #QF 0.68)
&rst
ixpk= 272, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 323, 327,
igr2= 500, 501,
&end
#
# 42 VAL HB 46 TYR QD 5.27 (#peak 273 #SUP 0.93 #QF 0.51)
&rst
ixpk= 273, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 548, 557,
&end
#
# 43 GLU QB 46 TYR QD 5.50 (#peak 273 #SUP 0.93 #QF 0.51)
&rst
ixpk= 273, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 500, 501,
igr2= 548, 557,
&end
#
# 16 LEU HG 19 TYR QD 5.50 (#peak 275 #SUP 0.96 #QF 0.78)
&rst
ixpk= 275, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 276, 285,
&end
#
# 16 LEU HG 31 PHE QE 5.50 (#peak 275 #SUP 0.96 #QF 0.78)
&rst
ixpk= 275, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 323, 327,
&end
#
# 31 PHE QE 47 LEU HG 5.50 (#peak 275 #SUP 0.96 #QF 0.78)
&rst
ixpk= 275, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 323, 327,
&end
#
# 16 LEU HG 17 GLU H 4.71 (#peak 276 #SUP 0.78 #QF 0.78)
&rst
ixpk= 276, nxpk= 0, iat= 227, 239, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 43 GLU H 44 ALA QB 4.52 (#peak 277 #SUP 0.81 #QF 0.81)
&rst
ixpk= 277, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 515, 516, 517,
&end
#
# 42 VAL QG2 43 GLU H 4.03 (#peak 278 #SUP 0.92 #QF 0.92)
&rst
ixpk= 278, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 490, 491, 492,
&end
#
# 56 TYR QD 58 PRO QG 4.60 (#peak 279 #SUP 0.57 #QF 0.57)
&rst
ixpk= 279, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 704, 713,
igr2= 735, 736,
&end
#
# 41 LEU HB2 42 VAL H 4.24 (#peak 281 #SUP 0.93 #QF 0.93)
&rst
ixpk= 281, nxpk= 0, iat= 465, 480, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 18 ASN QB 19 TYR QD 4.42 (#peak 283 #SUP 0.74 #QF 0.74)
&rst
ixpk= 283, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 258, 259,
igr2= 276, 285,
&end
#
# 2 ILE HG12 3 VAL H 5.18 (#peak 286 #SUP 0.61 #QF 0.61)
&rst
ixpk= 286, nxpk= 0, iat= 21, 30, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 10 ILE QG1 35 HIS HD2 5.12 (#peak 287 #SUP 0.89 #QF 0.89)
&rst
ixpk= 287, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 133, 134,
&end
#
# 45 LEU HB3 55 PHE QE 4.80 (#peak 288 #SUP 0.48 #QF 0.48)
&rst
ixpk= 288, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 686, 690,
&end
#
# 42 VAL HA 46 TYR H 4.70 (#peak 289 #SUP 0.70 #QF 0.70)
&rst
ixpk= 289, nxpk= 0, iat= 482, 540, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 14 TYR HA 16 LEU H 4.97 (#peak 290 #SUP 0.69 #QF 0.69)
&rst
ixpk= 290, nxpk= 0, iat= 184, 220, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 31 PHE QE 44 ALA HA 4.63 (#peak 293 #SUP 0.43 #QF 0.43)
&rst
ixpk= 293, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 323, 327,
&end
#
# 13 LEU HA 31 PHE QE 5.50 (#peak 294 #SUP 0.87 #QF 0.87)
&rst
ixpk= 294, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 323, 327,
&end
#
# 17 GLU HA 20 CYX H 4.46 (#peak 295 #SUP 0.61 #QF 0.61)
&rst
ixpk= 295, nxpk= 0, iat= 241, 289, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 56 TYR QD 57 THR HA 4.69 (#peak 297 #SUP 0.76 #QF 0.76)
&rst
ixpk= 297, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 704, 713,
&end
#
# 17 GLU H 18 ASN HA 5.50 (#peak 301 #SUP 0.83 #QF 0.83)
&rst
ixpk= 301, nxpk= 0, iat= 239, 256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 TYR H 56 TYR QD 4.64 (#peak 303 #SUP 0.81 #QF 0.81)
&rst
ixpk= 303, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 704, 713,
&end
#
# 56 TYR QD 57 THR H 4.65 (#peak 304 #SUP 0.95 #QF 0.36)
&rst
ixpk= 304, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 704, 713,
&end
#
# 42 VAL H 43 GLU H 4.22 (#peak 305 #SUP 0.66 #QF 0.66)
&rst
ixpk= 305, nxpk= 0, iat= 480, 496, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 14 TYR QD 15 GLN HA 3.71 (#peak 307 #SUP 0.88 #QF 0.88)
&rst
ixpk= 307, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 190, 199,
&end
#
# 16 LEU QQD 17 GLU H 4.44 (#peak 308 #SUP 0.84 #QF 0.61)
&rst
ixpk= 308, nxpk= 0, iat= 226, 239, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, &end
#
# 16 LEU QQD 45 LEU H 4.66 (#peak 308 #SUP 0.84 #QF 0.61)
&rst
ixpk= 308, nxpk= 0, iat= 226, 521, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, &end
#
# 2 ILE QG2 19 TYR QE 4.02 (#peak 310 #SUP 0.81 #QF 0.81)
&rst
ixpk= 310, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 17, 18, 19,
igr2= 278, 283,
&end
#
# 2 ILE HG13 19 TYR QE 4.52 (#peak 312 #SUP 0.80 #QF 0.80)
&rst
ixpk= 312, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 278, 283,
&end
#
# 16 LEU HB3 17 GLU H 3.84 (#peak 313 #SUP 0.80 #QF 0.80)
&rst
ixpk= 313, nxpk= 0, iat= 225, 239, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 10 ILE HA 35 HIS HD2 5.10 (#peak 317 #SUP 0.86 #QF 0.86)
&rst
ixpk= 317, nxpk= 0, iat= 125, 393, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 41 LEU HA 45 LEU H 4.28 (#peak 319 #SUP 0.73 #QF 0.73)
&rst
ixpk= 319, nxpk= 0, iat= 463, 521, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 41 LEU HA 44 ALA H 4.08 (#peak 320 #SUP 0.99 #QF 0.29)
&rst
ixpk= 320, nxpk= 0, iat= 463, 511, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 42 VAL H 42 VAL QG1 3.96 (#peak 321 #SUP 0.60 #QF 0.60)
&rst
ixpk= 321, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 486, 487, 488,
&end
#
# 42 VAL H 42 VAL QG2 3.96 (#peak 322 #SUP 0.98 #QF 0.97)
&rst
ixpk= 322, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 490, 491, 492,
&end
#
# 31 PHE QD 47 LEU QQD 4.48 (#peak 322 #SUP 0.98 #QF 0.97)
&rst
ixpk= 322, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 321, 329,
&end
#
# 31 PHE QE 47 LEU QQD 3.92 (#peak 323 #SUP 0.52 #QF 0.52)
&rst
ixpk= 323, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 323, 327,
&end
#
# 41 LEU H 41 LEU HB3 4.09 (#peak 324 #SUP 0.98 #QF 0.98)
&rst
ixpk= 324, nxpk= 0, iat= 461, 466, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 47 LEU H 47 LEU HG 4.07 (#peak 325 #SUP 0.88 #QF 0.88)
&rst
ixpk= 325, nxpk= 0, iat= 561, 568, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 41 LEU HB3 42 VAL H 4.24 (#peak 331 #SUP 0.53 #QF 0.36)
&rst
ixpk= 331, nxpk= 0, iat= 466, 480, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 41 LEU H 41 LEU HB2 4.09 (#peak 335 #SUP 0.98 #QF 0.98)
&rst
ixpk= 335, nxpk= 0, iat= 461, 465, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 57 THR HA 58 PRO QD 2.81 (#peak 10 #SUP 0.97 #QF 0.97)
&rst
ixpk= 10, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 732, 733,
&end
#
# 36 LEU HA 36 LEU QQD 3.33 (#peak 19 #SUP 0.92 #QF 0.92)
&rst
ixpk= 19, nxpk= 0, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 10 ILE HA 10 ILE QG2 3.92 (#peak 20 #SUP 0.98 #QF 0.98)
&rst
ixpk= 20, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 129, 130, 131,
&end
#
# 10 ILE HA 10 ILE QD1 4.13 (#peak 21 #SUP 0.96 #QF 0.96)
&rst
ixpk= 21, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 136, 137, 138,
&end
#
# 2 ILE QD1 19 TYR HA 4.59 (#peak 22 #SUP 0.74 #QF 0.30)
&rst
ixpk= 22, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 24, 25, 26,
&end
#
# 10 ILE QG2 33 ASN HA 4.79 (#peak 22 #SUP 0.74 #QF 0.30)
&rst
ixpk= 22, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 129, 130, 131,
&end
#
# 42 VAL HA 42 VAL QG1 3.94 (#peak 24 #SUP 0.94 #QF 0.94)
&rst
ixpk= 24, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 486, 487, 488,
&end
#
# 42 VAL HA 42 VAL QG2 3.94 (#peak 25 #SUP 0.89 #QF 0.89)
&rst
ixpk= 25, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 490, 491, 492,
&end
#
# 42 VAL HA 45 LEU QD2 5.42 (#peak 27 #SUP 0.91 #QF 0.91)
&rst
ixpk= 27, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 534, 535, 536,
&end
#
# 19 TYR HB3 45 LEU QD2 4.91 (#peak 29 #SUP 0.96 #QF 0.96)
&rst
ixpk= 29, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 534, 535, 536,
&end
#
# 19 TYR HB2 45 LEU QD2 4.69 (#peak 30 #SUP 0.94 #QF 0.94)
&rst
ixpk= 30, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 534, 535, 536,
&end
#
# 45 LEU HA 45 LEU QD2 4.19 (#peak 31 #SUP 0.98 #QF 0.98)
&rst
ixpk= 31, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 534, 535, 536,
&end
#
# 3 VAL HA 3 VAL QG1 3.81 (#peak 33 #SUP 0.74 #QF 0.74)
&rst
ixpk= 33, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 36, 37, 38,
&end
#
# 3 VAL HA 3 VAL QG2 3.81 (#peak 35 #SUP 0.78 #QF 0.78)
&rst
ixpk= 35, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 40, 41, 42,
&end
#
# 57 THR QG2 58 PRO QD 3.94 (#peak 40 #SUP 0.93 #QF 0.93)
&rst
ixpk= 40, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 723, 724, 725,
igr2= 732, 733,
&end
#
# 19 TYR HB2 45 LEU QD1 4.69 (#peak 44 #SUP 0.99 #QF 0.99)
&rst
ixpk= 44, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 530, 531, 532,
&end
#
# 19 TYR HB3 45 LEU QD1 4.91 (#peak 45 #SUP 0.99 #QF 0.99)
&rst
ixpk= 45, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 530, 531, 532,
&end
#
# 52 ARG HB3 52 ARG QD 4.03 (#peak 47 #SUP 0.99 #QF 0.99)
&rst
ixpk= 47, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 638, 639,
&end
#
# 52 ARG HB2 52 ARG QD 4.03 (#peak 49 #SUP 0.98 #QF 0.98)
&rst
ixpk= 49, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 638, 639,
&end
#
# 41 LEU QD2 42 VAL HA 5.50 (#peak 51 #SUP 0.97 #QF 0.64)
&rst
ixpk= 51, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 474, 475, 476,
&end
#
# 6 CYX HB2 16 LEU QQD 5.25 (#peak 52 #SUP 0.83 #QF 0.51)
&rst
ixpk= 52, nxpk= 0, iat= 82, 226, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, &end
#
# 41 LEU QD1 42 VAL HA 5.50 (#peak 52 #SUP 0.83 #QF 0.51)
&rst
ixpk= 52, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 470, 471, 472,
&end
#
# 2 ILE QG2 19 TYR HB3 4.82 (#peak 53 #SUP 0.97 #QF 0.36)
&rst
ixpk= 53, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 17, 18, 19,
&end
#
# 57 THR HA 57 THR QG2 3.41 (#peak 56 #SUP 0.99 #QF 0.99)
&rst
ixpk= 56, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 723, 724, 725,
&end
#
# 57 THR HA 58 PRO QG 4.06 (#peak 57 #SUP 0.98 #QF 0.98)
&rst
ixpk= 57, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 735, 736,
&end
#
# 10 ILE QD1 34 GLN HA 4.54 (#peak 58 #SUP 0.61 #QF 0.61)
&rst
ixpk= 58, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 136, 137, 138,
&end
#
# 16 LEU HA 16 LEU QQD 3.15 (#peak 61 #SUP 0.83 #QF 0.83)
&rst
ixpk= 61, nxpk= 0, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 45 LEU HA 45 LEU QD1 4.19 (#peak 62 #SUP 0.87 #QF 0.87)
&rst
ixpk= 62, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 530, 531, 532,
&end
#
# 8 THR HA 8 THR QG2 3.33 (#peak 63 #SUP 0.99 #QF 0.99)
&rst
ixpk= 63, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 104, 105, 106,
&end
#
# 12 SER HB2 14 TYR QB 4.90 (#peak 65 #SUP 0.89 #QF 0.33)
&rst
ixpk= 65, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 186, 187,
&end
#
# 16 LEU HA 19 TYR HB2 5.50 (#peak 65 #SUP 0.89 #QF 0.33)
&rst
ixpk= 65, nxpk= 0, iat= 222, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 SER HB3 14 TYR QB 4.90 (#peak 66 #SUP 0.88 #QF 0.50)
&rst
ixpk= 66, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 186, 187,
&end
#
# 14 TYR QB 15 GLN HA 5.24 (#peak 66 #SUP 0.88 #QF 0.50)
&rst
ixpk= 66, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 186, 187,
&end
#
# 15 GLN HA 15 GLN HG2 4.14 (#peak 70 #SUP 0.98 #QF 0.98)
&rst
ixpk= 70, nxpk= 0, iat= 205, 210, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 15 GLN HA 15 GLN HG3 4.14 (#peak 71 #SUP 0.98 #QF 0.98)
&rst
ixpk= 71, nxpk= 0, iat= 205, 211, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 32 VAL HA 32 VAL QQG 3.26 (#peak 73 #SUP 0.94 #QF 0.94)
&rst
ixpk= 73, nxpk= 0, iat= 335, 336, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 47 LEU HA 47 LEU QQD 3.32 (#peak 76 #SUP 0.41 #QF 0.41)
&rst
ixpk= 76, nxpk= 0, iat= 563, 567, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 13 LEU HA 16 LEU QQD 3.35 (#peak 77 #SUP 0.74 #QF 0.74)
&rst
ixpk= 77, nxpk= 0, iat= 165, 226, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 48 VAL HA 48 VAL QG1 3.32 (#peak 78 #SUP 0.99 #QF 0.99)
&rst
ixpk= 78, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 586, 587, 588,
&end
#
# 48 VAL HA 48 VAL QG2 3.23 (#peak 79 #SUP 1.00)
&rst
ixpk= 79, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 590, 591, 592,
&end
#
# 43 GLU HA 46 TYR QB 3.55 (#peak 94 #SUP 0.95 #QF 0.95)
&rst
ixpk= 94, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 544, 545,
&end
#
# 43 GLU HA 43 GLU HG2 4.13 (#peak 96 #SUP 0.96 #QF 0.96)
&rst
ixpk= 96, nxpk= 0, iat= 498, 503, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 43 GLU HA 43 GLU HG3 4.13 (#peak 97 #SUP 0.97 #QF 0.97)
&rst
ixpk= 97, nxpk= 0, iat= 498, 504, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 17 GLU HG2 48 VAL QG1 4.45 (#peak 99 #SUP 0.88 #QF 0.88)
&rst
ixpk= 99, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 586, 587, 588,
&end
#
# 36 LEU QQD 41 LEU HA 3.60 (#peak 103 #SUP 0.82 #QF 0.42)
&rst
ixpk= 103, nxpk= 0, iat= 403, 463, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 41 LEU HA 41 LEU QD2 3.97 (#peak 103 #SUP 0.82 #QF 0.42)
&rst
ixpk= 103, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 474, 475, 476,
&end
#
# 13 LEU HA 13 LEU QQD 3.58 (#peak 106 #SUP 0.99 #QF 0.99)
&rst
ixpk= 106, nxpk= 0, iat= 165, 169, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 13 LEU HA 16 LEU HG 4.58 (#peak 107 #SUP 0.97 #QF 0.97)
&rst
ixpk= 107, nxpk= 0, iat= 165, 227, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 13 LEU HA 16 LEU HB2 4.21 (#peak 108 #SUP 0.95 #QF 0.95)
&rst
ixpk= 108, nxpk= 0, iat= 165, 224, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 44 ALA QB 45 LEU HA 4.59 (#peak 112 #SUP 0.99 #QF 0.99)
&rst
ixpk= 112, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 515, 516, 517,
&end
#
# 45 LEU HA 48 VAL QG2 3.68 (#peak 113 #SUP 0.97 #QF 0.97)
&rst
ixpk= 113, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 590, 591, 592,
&end
#
# 45 LEU HA 48 VAL QG1 4.42 (#peak 114 #SUP 0.92 #QF 0.92)
&rst
ixpk= 114, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 586, 587, 588,
&end
#
# 45 LEU HA 48 VAL HB 3.75 (#peak 115 #SUP 0.84 #QF 0.84)
&rst
ixpk= 115, nxpk= 0, iat= 523, 584, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 52 ARG HA 52 ARG QG 4.04 (#peak 117 #SUP 0.52 #QF 0.52)
&rst
ixpk= 117, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 635, 636,
&end
#
# 52 ARG HA 52 ARG QD 3.97 (#peak 119 #SUP 0.77 #QF 0.77)
&rst
ixpk= 119, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 638, 639,
&end
#
# 41 LEU HA 41 LEU QD1 3.97 (#peak 122 #SUP 0.97 #QF 0.97)
&rst
ixpk= 122, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 470, 471, 472,
&end
#
# 16 LEU QQD 19 TYR HB2 4.79 (#peak 124 #SUP 0.93 #QF 0.91)
&rst
ixpk= 124, nxpk= 0, iat= 226, 272, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, &end
#
# 6 CYX HB3 16 LEU QQD 5.25 (#peak 125 #SUP 0.66 #QF 0.33)
&rst
ixpk= 125, nxpk= 0, iat= 83, 226, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95, &end
#
# 10 ILE HB 10 ILE QD1 3.73 (#peak 127 #SUP 0.98 #QF 0.98)
&rst
ixpk= 127, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 136, 137, 138,
&end
#
# 36 LEU HB3 36 LEU QQD 3.63 (#peak 129 #SUP 0.98 #QF 0.98)
&rst
ixpk= 129, nxpk= 0, iat= 402, 403, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 16 LEU QQD 45 LEU HG 4.50 (#peak 133 #SUP 0.83 #QF 0.43)
&rst
ixpk= 133, nxpk= 0, iat= 226, 528, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 13 LEU QB 48 VAL QG2 4.56 (#peak 137 #SUP 0.98 #QF 0.41)
&rst
ixpk= 137, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 167, 168,
igr2= 590, 591, 592,
&end
#
# 16 LEU HB3 48 VAL QG2 4.72 (#peak 137 #SUP 0.98 #QF 0.41)
&rst
ixpk= 137, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 590, 591, 592,
&end
#
# 13 LEU QB 13 LEU QQD 3.44 (#peak 138 #SUP 0.97 #QF 0.96)
&rst
ixpk= 138, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 167, 168,
&end
#
# 16 LEU HB3 16 LEU QQD 3.03 (#peak 139 #SUP 0.90 #QF 0.90)
&rst
ixpk= 139, nxpk= 0, iat= 225, 226, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 16 LEU QQD 44 ALA QB 3.28 (#peak 141 #SUP 0.46 #QF 0.46)
&rst
ixpk= 141, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 515, 516, 517,
&end
#
# 36 LEU QQD 44 ALA QB 3.08 (#peak 142 #SUP 0.57 #QF 0.57)
&rst
ixpk= 142, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 515, 516, 517,
&end
#
# 44 ALA QB 48 VAL QG2 4.18 (#peak 146 #SUP 0.78 #QF 0.78)
&rst
ixpk= 146, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 515, 516, 517,
igr2= 590, 591, 592,
&end
#
# 2 ILE QG2 2 ILE HG13 4.05 (#peak 150 #SUP 0.90 #QF 0.90)
&rst
ixpk= 150, nxpk= 0, iat= -1, 22, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 17, 18, 19,
&end
#
# 2 ILE QG2 2 ILE HG12 4.05 (#peak 151 #SUP 0.96 #QF 0.96)
&rst
ixpk= 151, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 17, 18, 19,
&end
#
# 16 LEU HG 48 VAL QG1 4.11 (#peak 159 #SUP 0.39 #QF 0.39)
&rst
ixpk= 159, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 586, 587, 588,
&end
#
# 36 LEU HB2 36 LEU QQD 3.63 (#peak 163 #SUP 0.99 #QF 0.99)
&rst
ixpk= 163, nxpk= 0, iat= 401, 403, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 16 LEU HB2 48 VAL QG1 3.67 (#peak 165 #SUP 0.90 #QF 0.84)
&rst
ixpk= 165, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 586, 587, 588,
&end
#
# 16 LEU QQD 48 VAL HB 4.80 (#peak 169 #SUP 0.99 #QF 0.82)
&rst
ixpk= 169, nxpk= 0, iat= 226, 584, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 16 LEU HB2 48 VAL QG2 4.22 (#peak 171 #SUP 0.92 #QF 0.92)
&rst
ixpk= 171, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 590, 591, 592,
&end
#
# 13 LEU HG 48 VAL QG2 4.73 (#peak 178 #SUP 0.44 #QF 0.44)
&rst
ixpk= 178, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 590, 591, 592,
&end
#
# 10 ILE QG2 10 ILE QD1 3.26 (#peak 180 #SUP 0.98 #QF 0.98)
&rst
ixpk= 180, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 129, 130, 131,
igr2= 136, 137, 138,
&end
#
# 17 GLU HG3 48 VAL QG1 4.45 (#peak 184 #SUP 0.83 #QF 0.83)
&rst
ixpk= 184, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 586, 587, 588,
&end
#
# 17 GLU HA 17 GLU HG2 3.96 (#peak 202 #SUP 0.90 #QF 0.90)
&rst
ixpk= 202, nxpk= 0, iat= 241, 246, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 48 VAL QG1 49 CYX HA 4.79 (#peak 210 #SUP 0.81 #QF 0.81)
&rst
ixpk= 210, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 586, 587, 588,
&end
#
# 16 LEU HA 19 TYR HB3 5.50 (#peak 216 #SUP 0.97 #QF 0.97)
&rst
ixpk= 216, nxpk= 0, iat= 222, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU HA 42 VAL HA 5.39 (#peak 217 #SUP 1.00 #QF 0.96)
&rst
ixpk= 217, nxpk= 0, iat= 463, 482, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 42 VAL HA 43 GLU HA 5.50 (#peak 217 #SUP 1.00 #QF 0.96)
&rst
ixpk= 217, nxpk= 0, iat= 482, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 HIS HA 43 GLU HG2 5.50 (#peak 223 #SUP 0.96 #QF 0.96)
&rst
ixpk= 223, nxpk= 0, iat= 446, 503, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 HIS HA 43 GLU HG3 5.50 (#peak 224 #SUP 0.91 #QF 0.89)
&rst
ixpk= 224, nxpk= 0, iat= 446, 504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 TYR HA 17 GLU HG2 5.14 (#peak 226 #SUP 0.63 #QF 0.63)
&rst
ixpk= 226, nxpk= 0, iat= 184, 246, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 14 TYR HA 17 GLU HG3 5.14 (#peak 227 #SUP 0.77 #QF 0.77)
&rst
ixpk= 227, nxpk= 0, iat= 184, 247, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 10 ILE QD1 33 ASN HA 5.39 (#peak 229 #SUP 0.76 #QF 0.76)
&rst
ixpk= 229, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 136, 137, 138,
&end
#
# 10 ILE QD1 35 HIS HA 4.88 (#peak 230 #SUP 0.63 #QF 0.63)
&rst
ixpk= 230, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 136, 137, 138,
&end
#
# 41 LEU HA 45 LEU HG 5.36 (#peak 233 #SUP 0.96 #QF 0.96)
&rst
ixpk= 233, nxpk= 0, iat= 463, 528, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 2 ILE QG2 3 VAL HA 5.49 (#peak 235 #SUP 0.73 #QF 0.73)
&rst
ixpk= 235, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 17, 18, 19,
&end
#
# 31 PHE HA 36 LEU QQD 5.29 (#peak 237 #SUP 0.59 #QF 0.59)
&rst
ixpk= 237, nxpk= 0, iat= 315, 403, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99, &end
#
# 46 TYR QB 47 LEU QQD 4.65 (#peak 240 #SUP 0.87 #QF 0.61)
&rst
ixpk= 240, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1= 544, 545,
&end
#
# 43 GLU QB 46 TYR QB 5.10 (#peak 241 #SUP 0.81 #QF 0.81)
&rst
ixpk= 241, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 500, 501,
igr2= 544, 545,
&end
#
# 43 GLU QB 44 ALA QB 4.54 (#peak 248 #SUP 0.93 #QF 0.93)
&rst
ixpk= 248, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 500, 501,
igr2= 515, 516, 517,
&end
#
# 42 VAL HA 45 LEU QD1 5.42 (#peak 260 #SUP 0.96 #QF 0.96)
&rst
ixpk= 260, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 530, 531, 532,
&end
#
# 16 LEU QQD 19 TYR HB3 5.50 (#peak 261 #SUP 0.98 #QF 0.98)
&rst
ixpk= 261, nxpk= 0, iat= 226, 273, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 2 ILE QD1 19 TYR HB3 4.83 (#peak 262 #SUP 0.70 #QF 0.70)
&rst
ixpk= 262, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 24, 25, 26,
&end
#
# 40 HIS HA 43 GLU QB 3.67 (#peak 267 #SUP 0.70 #QF 0.70)
&rst
ixpk= 267, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 500, 501,
&end
#
# 13 LEU QQD 14 TYR QB 5.50 (#peak 269 #SUP 0.95 #QF 0.91)
&rst
ixpk= 269, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr2= 186, 187,
&end
#
# 17 GLU HA 48 VAL QG1 3.57 (#peak 275 #SUP 0.70 #QF 0.70)
&rst
ixpk= 275, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 586, 587, 588,
&end
#
# 17 GLU HA 17 GLU HG3 3.96 (#peak 276 #SUP 0.91 #QF 0.91)
&rst
ixpk= 276, nxpk= 0, iat= 241, 247, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 16 LEU QQD 48 VAL QG2 3.62 (#peak 278 #SUP 0.78 #QF 0.78)
&rst
ixpk= 278, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 590, 591, 592,
&end
#
# 2 ILE QG2 2 ILE QG1 3.18 (#peak 150)
&rst
ixpk= 150, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 17, 18, 19,
igr2= 21, 22,
&end
#
# 2 ILE QG1 3 VAL H 4.46 (#peak 286)
&rst
ixpk= 286, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 21, 22,
&end
#
# 2 ILE QG1 19 TYR HA 5.22 (#peak 228)
&rst
ixpk= 228, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 21, 22,
&end
#
# 2 ILE QG1 19 TYR QE 3.97 (#peak 312)
&rst
ixpk= 312, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 21, 22,
igr2= 278, 283,
&end
#
# 2 ILE QG1 45 LEU QQD 5.28 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1= 21, 22,
&end
#
# 3 VAL H 3 VAL QQG 3.27 (#peak 184)
&rst
ixpk= 184, nxpk= 0, iat= 30, 33, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 6 CYX HA 11 CYX QB 5.31 (#peak 215)
&rst
ixpk= 215, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 146, 147,
&end
#
# 6 CYX QB 11 CYX QB 4.87 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 82, 83,
igr2= 146, 147,
&end
#
# 6 CYX QB 16 LEU QQD 4.56 (#peak 52)
&rst
ixpk= 52, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 82, 83,
&end
#
# 6 CYX QB 36 LEU QB 4.40 (#peak 188)
&rst
ixpk= 188, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 82, 83,
igr2= 401, 402,
&end
#
# 6 CYX QB 36 LEU QQD 5.13 (#peak 51)
&rst
ixpk= 51, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr1= 82, 83,
&end
#
# 6 CYX QB 41 LEU QQD 4.04 (#peak 100)
&rst
ixpk= 100, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 82, 83,
&end
#
# 9 SER QB 10 ILE H 3.30 (#peak 250)
&rst
ixpk= 250, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 116, 117,
&end
#
# 10 ILE QG2 33 ASN QB 4.81 (#peak 89)
&rst
ixpk= 89, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 129, 130, 131,
igr2= 353, 354,
&end
#
# 10 ILE QG2 34 GLN QB 5.34 (#peak 281)
&rst
ixpk= 281, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 129, 130, 131,
igr2= 367, 368,
&end
#
# 10 ILE QD1 34 GLN QB 5.29 (#peak 255)
&rst
ixpk= 255, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 136, 137, 138,
igr2= 367, 368,
&end
#
# 11 CYX QB 15 GLN HA 5.34 (#peak 218)
&rst
ixpk= 218, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 146, 147,
&end
#
# 11 CYX QB 15 GLN QG 4.26 (#peak 42)
&rst
ixpk= 42, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 146, 147,
igr2= 210, 211,
&end
#
# 11 CYX QB 16 LEU HG 4.45 (#peak 187)
&rst
ixpk= 187, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 146, 147,
&end
#
# 11 CYX QB 16 LEU QQD 4.07 (#peak 41)
&rst
ixpk= 41, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 146, 147,
&end
#
# 12 SER QB 14 TYR QD 4.59 (#peak 316)
&rst
ixpk= 316, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 156, 157,
igr2= 190, 199,
&end
#
# 13 LEU QQD 31 PHE QB 5.34 (#peak 269)
&rst
ixpk= 269, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2= 317, 318,
&end
#
# 14 TYR HA 17 GLU QB 4.08 (#peak 118)
&rst
ixpk= 118, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 243, 244,
&end
#
# 14 TYR QB 15 GLN QB 5.34 (#peak 239)
&rst
ixpk= 239, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 186, 187,
igr2= 207, 208,
&end
#
# 14 TYR QB 17 GLU QB 5.34 (#peak 239)
&rst
ixpk= 239, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 186, 187,
igr2= 243, 244,
&end
#
# 14 TYR QD 15 GLN QB 4.64 (#peak 212)
&rst
ixpk= 212, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 190, 199,
igr2= 207, 208,
&end
#
# 14 TYR QD 15 GLN QG 3.91 (#peak 213)
&rst
ixpk= 213, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 190, 199,
igr2= 210, 211,
&end
#
# 14 TYR QE 15 GLN QG 4.48 (#peak 216)
&rst
ixpk= 216, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 192, 197,
igr2= 210, 211,
&end
#
# 15 GLN H 15 GLN QB 3.43 (#peak 68)
&rst
ixpk= 68, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 207, 208,
&end
#
# 15 GLN H 15 GLN QG 3.47 (#peak 66)
&rst
ixpk= 66, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 210, 211,
&end
#
# 15 GLN HA 15 GLN QG 3.50 (#peak 70)
&rst
ixpk= 70, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 210, 211,
&end
#
# 15 GLN QB 15 GLN QE2 4.23 (#peak 215)
&rst
ixpk= 215, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 207, 208,
igr2= 215, 216,
&end
#
# 15 GLN QB 16 LEU H 3.62 (#peak 86)
&rst
ixpk= 86, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 207, 208,
&end
#
# 15 GLN QB 16 LEU HA 3.99 (#peak 201)
&rst
ixpk= 201, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 207, 208,
&end
#
# 15 GLN QB 16 LEU QQD 4.34 (#peak 169)
&rst
ixpk= 169, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 207, 208,
&end
#
# 15 GLN QB 19 TYR QE 4.96 (#peak 205)
&rst
ixpk= 205, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 207, 208,
igr2= 278, 283,
&end
#
# 15 GLN QG 16 LEU H 3.98 (#peak 84)
&rst
ixpk= 84, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 210, 211,
&end
#
# 16 LEU H 17 GLU QG 5.34 (#peak 85)
&rst
ixpk= 85, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 246, 247,
&end
#
# 16 LEU HA 45 LEU QQD 4.16 (#peak 287)
&rst
ixpk= 287, nxpk= 0, iat= 222, 527, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 16 LEU HB2 45 LEU QQD 4.87 (#peak 247)
&rst
ixpk= 247, nxpk= 0, iat= 224, 527, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 16 LEU HB3 45 LEU QQD 4.07 (#peak 140)
&rst
ixpk= 140, nxpk= 0, iat= 225, 527, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 17 GLU H 17 GLU QB 3.24 (#peak 210)
&rst
ixpk= 210, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 243, 244,
&end
#
# 17 GLU H 17 GLU QG 3.31 (#peak 226)
&rst
ixpk= 226, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 246, 247,
&end
#
# 17 GLU HA 17 GLU QG 3.46 (#peak 276)
&rst
ixpk= 276, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 246, 247,
&end
#
# 17 GLU HA 20 CYX QB 4.95 (#peak 225)
&rst
ixpk= 225, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 293, 294,
&end
#
# 17 GLU QG 48 VAL QG1 3.63 (#peak 184)
&rst
ixpk= 184, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 246, 247,
igr2= 586, 587, 588,
&end
#
# 19 TYR H 45 LEU QQD 4.00 (#peak 161)
&rst
ixpk= 161, nxpk= 0, iat= 268, 527, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 19 TYR HB2 45 LEU QQD 3.73 (#peak 44)
&rst
ixpk= 44, nxpk= 0, iat= 272, 527, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 19 TYR HB3 45 LEU QQD 3.91 (#peak 45)
&rst
ixpk= 45, nxpk= 0, iat= 273, 527, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 19 TYR QD 45 LEU QQD 3.37 (#peak 169)
&rst
ixpk= 169, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 276, 285,
&end
#
# 19 TYR QE 45 LEU QQD 4.07 (#peak 167)
&rst
ixpk= 167, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 278, 283,
&end
#
# 20 CYX H 20 CYX QB 3.24 (#peak 14)
&rst
ixpk= 14, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 293, 294,
&end
#
# 20 CYX QB 21 ASN H 3.47 (#peak 16)
&rst
ixpk= 16, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 293, 294,
&end
#
# 21 ASN H 21 ASN QB 3.23 (#peak 18)
&rst
ixpk= 18, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 303, 304,
&end
#
# 21 ASN QB 21 ASN QD2 3.22 (#peak 109)
&rst
ixpk= 109, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 303, 304,
igr2= 308, 309,
&end
#
# 31 PHE QB 36 LEU QQD 5.22 (#peak 123)
&rst
ixpk= 123, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 317, 318,
&end
#
# 31 PHE QE 47 LEU QB 4.52 (#peak 336)
&rst
ixpk= 336, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 323, 327,
igr2= 565, 566,
&end
#
# 35 HIS QB 35 HIS HD2 3.25 (#peak 145)
&rst
ixpk= 145, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 384, 385,
&end
#
# 36 LEU HA 40 HIS QB 4.05 (#peak 92)
&rst
ixpk= 92, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 448, 449,
&end
#
# 36 LEU QB 41 LEU HA 4.03 (#peak 195)
&rst
ixpk= 195, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 401, 402,
&end
#
# 36 LEU QB 44 ALA QB 4.65 (#peak 257)
&rst
ixpk= 257, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 401, 402,
igr2= 515, 516, 517,
&end
#
# 36 LEU QQD 40 HIS QB 3.80 (#peak 46)
&rst
ixpk= 46, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 448, 449,
&end
#
# 37 CYX H 40 HIS QB 4.59 (#peak 260)
&rst
ixpk= 260, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 448, 449,
&end
#
# 37 CYX QB 41 LEU QQD 5.09 (#peak 124)
&rst
ixpk= 124, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 420, 421,
&end
#
# 40 HIS HA 43 GLU QG 4.68 (#peak 223)
&rst
ixpk= 223, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 503, 504,
&end
#
# 41 LEU H 41 LEU QB 3.59 (#peak 335)
&rst
ixpk= 335, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 465, 466,
&end
#
# 41 LEU HA 41 LEU QQD 3.41 (#peak 103)
&rst
ixpk= 103, nxpk= 0, iat= 463, 467, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 41 LEU HA 45 LEU QQD 5.16 (#peak 280)
&rst
ixpk= 280, nxpk= 0, iat= 463, 527, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86, &end
#
# 41 LEU QB 42 VAL H 3.71 (#peak 281)
&rst
ixpk= 281, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 465, 466,
&end
#
# 41 LEU QB 42 VAL QQG 5.03 (#peak 147)
&rst
ixpk= 147, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 465, 466,
&end
#
# 41 LEU QB 45 LEU QQD 4.98 (#peak 256)
&rst
ixpk= 256, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 465, 466,
&end
#
# 41 LEU HG 42 VAL QQG 5.44 (#peak 147)
&rst
ixpk= 147, nxpk= 0, iat= 468, 483, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 41 LEU HG 45 LEU QQD 4.24 (#peak 131)
&rst
ixpk= 131, nxpk= 0, iat= 468, 527, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 41 LEU QQD 42 VAL H 4.70 (#peak 176)
&rst
ixpk= 176, nxpk= 0, iat= 467, 480, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 41 LEU QQD 42 VAL HA 4.84 (#peak 52)
&rst
ixpk= 52, nxpk= 0, iat= 467, 482, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, &end
#
# 41 LEU QQD 42 VAL HB 5.44 (#peak 246)
&rst
ixpk= 246, nxpk= 0, iat= 467, 484, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 41 LEU QQD 45 LEU H 4.74 (#peak 185)
&rst
ixpk= 185, nxpk= 0, iat= 467, 521, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 41 LEU QQD 45 LEU HA 4.95 (#peak 234)
&rst
ixpk= 234, nxpk= 0, iat= 467, 523, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end
#
# 41 LEU QQD 45 LEU HG 4.62 (#peak 133)
&rst
ixpk= 133, nxpk= 0, iat= 467, 528, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, &end
#
# 42 VAL H 42 VAL QQG 3.09 (#peak 321)
&rst
ixpk= 321, nxpk= 0, iat= 480, 483, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 42 VAL HA 45 LEU QB 4.63 (#peak 28)
&rst
ixpk= 28, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 525, 526,
&end
#
# 42 VAL HA 45 LEU QQD 4.12 (#peak 27)
&rst
ixpk= 27, nxpk= 0, iat= 482, 527, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, &end
#
# 42 VAL QQG 43 GLU H 3.49 (#peak 182)
&rst
ixpk= 182, nxpk= 0, iat= 483, 496, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 42 VAL QQG 43 GLU HA 3.85 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat= 483, 498, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 42 VAL QQG 43 GLU QG 4.62 (#peak 244)
&rst
ixpk= 244, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 503, 504,
&end
#
# 42 VAL QQG 45 LEU HG 5.44 (#peak 282)
&rst
ixpk= 282, nxpk= 0, iat= 483, 528, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, &end
#
# 42 VAL QQG 45 LEU QQD 5.37 (#peak 153)
&rst
ixpk= 153, nxpk= 0, iat= 483, 527, r1= 1.30, r2= 1.80, r3= 9.77, r4=10.27, &end
#
# 42 VAL QQG 46 TYR H 4.72 (#peak 253)
&rst
ixpk= 253, nxpk= 0, iat= 483, 540, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, &end
#
# 42 VAL QQG 46 TYR QD 3.19 (#peak 178)
&rst
ixpk= 178, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 548, 557,
&end
#
# 42 VAL QQG 46 TYR QE 3.18 (#peak 179)
&rst
ixpk= 179, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 550, 555,
&end
#
# 43 GLU H 43 GLU QG 3.43 (#peak 30)
&rst
ixpk= 30, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 503, 504,
&end
#
# 43 GLU QG 44 ALA H 4.64 (#peak 31)
&rst
ixpk= 31, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 503, 504,
&end
#
# 43 GLU QG 47 LEU QQD 5.34 (#peak 243)
&rst
ixpk= 243, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 503, 504,
&end
#
# 45 LEU H 45 LEU QB 3.05 (#peak 190)
&rst
ixpk= 190, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 525, 526,
&end
#
# 45 LEU H 45 LEU QQD 3.60 (#peak 164)
&rst
ixpk= 164, nxpk= 0, iat= 521, 527, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 45 LEU HA 45 LEU QQD 3.09 (#peak 62)
&rst
ixpk= 62, nxpk= 0, iat= 523, 527, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 45 LEU QB 46 TYR H 3.56 (#peak 193)
&rst
ixpk= 193, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 525, 526,
&end
#
# 45 LEU QB 55 PHE QE 3.99 (#peak 204)
&rst
ixpk= 204, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 525, 526,
igr2= 686, 690,
&end
#
# 45 LEU QQD 46 TYR H 4.88 (#peak 262)
&rst
ixpk= 262, nxpk= 0, iat= 527, 540, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58, &end
#
# 45 LEU QQD 48 VAL HB 4.41 (#peak 170)
&rst
ixpk= 170, nxpk= 0, iat= 527, 584, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, &end
#
# 45 LEU QQD 48 VAL QG2 4.36 (#peak 157)
&rst
ixpk= 157, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr2= 590, 591, 592,
&end
#
# 45 LEU QQD 55 PHE QE 3.57 (#peak 168)
&rst
ixpk= 168, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 686, 690,
&end
#
# 47 LEU H 47 LEU QB 3.17 (#peak 42)
&rst
ixpk= 42, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 565, 566,
&end
#
# 48 VAL HB 49 CYX QB 4.67 (#peak 50)
&rst
ixpk= 50, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 600, 601,
&end
#
# 49 CYX QB 50 GLY H 4.34 (#peak 87)
&rst
ixpk= 87, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 600, 601,
&end
#
# 51 GLU HA 51 GLU QG 3.74 (#peak 199)
&rst
ixpk= 199, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 620, 621,
&end
#
# 52 ARG QB 52 ARG QD 3.52 (#peak 49)
&rst
ixpk= 49, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 632, 633,
igr2= 638, 639,
&end
#
# 54 HIS QB 54 HIS HD2 3.40 (#peak 221)
&rst
ixpk= 221, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 663, 664,
&end
#
# 56 TYR QD 58 PRO QB 4.32 (#peak 274)
&rst
ixpk= 274, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 704, 713,
igr2= 738, 739,
&end
#
# 56 TYR QE 58 PRO QB 4.01 (#peak 211)
&rst
ixpk= 211, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 706, 711,
igr2= 738, 739,
&end
#
# 57 THR HA 58 PRO QB 5.23 (#peak 224)
&rst
ixpk= 224, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 738, 739,
&end
#
# 59 LYS QB 60 THR H 4.15 (#peak 207)
&rst
ixpk= 207, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 749, 750,
&end
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